SCHEMBL3571507

SCHEMBL3571507

C=CC(=O)Nc1ccc2c(c1)C(=CNc1ccc(N3CCN(C)CC3)cc1)C(=O)NC2=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.47
JAK1 P23458 2/20 0.47
JAK2 O60674 3/20 0.46
CSF1R P07333 1/20 0.46
BTK Q06187 5/20 0.46
EGFR P00533 8/20 0.45
ERBB2 P04626 1/20 0.44
FLT3 P36888 2/20 0.43
TDP2 O95551 1/20 0.43
CTSC P53634 1/20 0.43
SRC P12931 1/20 0.43
TEC P42680 1/20 0.43
SLK Q9H2G2 1/20 0.43
BLK P51451 2/20 0.43
KCNH2 Q12809 1/20 0.43
BMX P51813 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3571499 1.00 JAK3 (0.47) JAK3JAK1JAK2CSF1RBTK
Trifluoroacetic Acid SCHEMBL3568790 0.94 L3MBTL1 (0.47) JAK3JAK1JAK2CSF1RBTK
Trifluoroacetic Acid SCHEMBL3568794 0.94 L3MBTL1 (0.47) JAK3JAK1JAK2CSF1RBTK
SCHEMBL3567313 0.90 JAK3 (0.47) JAK3JAK1JAK2CSF1R
SCHEMBL3567295 0.90 JAK3 (0.47) JAK3JAK1JAK2CSF1R
SCHEMBL3567304 0.90 JAK3 (0.47) JAK3JAK1JAK2CSF1R
SCHEMBL3567242 0.89 CSF1R (0.48) JAK2CSF1RFLT3
SCHEMBL3567249 0.89 CSF1R (0.48) JAK2CSF1RFLT3
SCHEMBL3629455 0.86 CSF1R (0.49) JAK3CSF1REGFR
SCHEMBL3629457 0.86 CSF1R (0.49) JAK3CSF1REGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US claimed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US claimed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 JAK3 1628/4885JAK1 822/4885JAK2 260/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.